SCHEMBL1722670

SCHEMBL1722670

CCS(=O)(=O)NCCCC(N)=O

nearest known ligand 0.44

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 2/20 0.42
KMT2A Q03164 2/20 0.42
CA2 P00918 5/20 0.40
CA1 P00915 4/20 0.40
CA12 O43570 3/20 0.39
CA14 Q9ULX7 3/20 0.39
CA7 P43166 2/20 0.38
ALDH1A1 P00352 1/20 0.38
LMNA P02545 1/20 0.38
CA9 Q16790 1/20 0.37
FAAH O00519 1/20 0.35
TP53 P04637 1/20 0.35
CYP1A2 P05177 1/20 0.35
CYP3A4 P08684 1/20 0.35
CYP2C19 P33261 1/20 0.35
SOAT1 P35610 1/20 0.35
RELA Q04206 4/20 0.35
PTGES O14684 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.34

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL3170341 0.92 MEN1 (0.43) MEN1KMT2ACA2CA1CA12
SCHEMBL3165524 0.92 MEN1 (0.43) MEN1KMT2ACA2CA1CA12
SCHEMBL16371370 0.80 RELA (0.45) MEN1KMT2ACA2CA1CA12
SCHEMBL1724564 0.80 POLB (0.41) KMT2ACA2CA1CA12CA14
SCHEMBL18396375 0.79 MEN1 (0.43) MEN1KMT2ACA2CA1CA12
SCHEMBL18396373 0.79 MEN1 (0.43) MEN1KMT2ACA2CA1CA12
SCHEMBL25735982 0.78 MEN1 (0.39) MEN1KMT2ACA2CA1CA12
SCHEMBL13840434 0.77 FABP4 (0.56) MEN1KMT2AALDH1A1
SCHEMBL396581 0.76 MEN1 (0.41) MEN1KMT2ACA2CA1CA12
SCHEMBL3773841 0.75 CA1 (0.43) MEN1KMT2ACA2CA1CA12

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20240122180-A1 FUNGICIDAL HALOMETHYL KETONES AND HYDRATES AND THEIR MIXTURES FMC CORPORATION 2024-04-18 US disclosed
EP-2403834-A1 Fungicidal pyrazoles E. I. du Pont de Nemours and Company (US) 2012-01-11 EP disclosed
WO-2010101973-A1 FUNGICIDAL PYRAZOLES E. I. DU PONT DE NEMOURS AND COMPANY (US) 2010-09-10 WO disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (1 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20240122180-A1 FUNGICIDAL HALOMETHYL KETONES AND HYDRATES AND THEIR MIXTURES AKR7A2, TBCA, TUBA1C MEN1 3080/4885KMT2A 909/4885CA2 446/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.